Home Carboxys (4R)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylic acid

(4R)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylic acid

CAS No.:
62096-93-9
Catalog Number:
AG01B5K3
Molecular Formula:
C10H9NO2S
Molecular Weight:
207.2490
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Product Description
Catalog Number:
AG01B5K3
Chemical Name:
(4R)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CAS Number:
62096-93-9
Molecular Formula:
C10H9NO2S
Molecular Weight:
207.2490
MDL Number:
MFCD12913868
IUPAC Name:
(4R)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylic acid
InChI:
InChI=1S/C10H9NO2S/c12-10(13)8-6-14-9(11-8)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,13)/t8-/m0/s1
InChI Key:
HOZQYTNELGLJMC-QMMMGPOBSA-N
SMILES:
OC(=O)[C@@H]1CSC(=N1)c1ccccc1
Properties
Complexity:
259  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
207.035g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
207.247g/mol
Monoisotopic Mass:
207.035g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
75A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties